6-(azepan-1-ylcarbonyl)-2,2-dimethyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-(azepan-1-ylcarbonyl)-2,2-dimethyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one Openeye Name: 6-(azepane-1-carbonyl)-2,2-dimethyl-4-(3-pyridylmethyl)-1,4-benzoxazin-3-one CAS Name: 6-[1-azepanyl(oxo)methyl]-2,2-dimethyl-4-(3-pyridinylmethyl)-1,4-benzoxazin-3-one IUPAC Name: 6-(azepane-1-carbonyl)-2,2-dimethyl-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one Traditional Name: 6-(azepane-1-carbonyl)-2,2-dimethyl-4-(3-pyridylmethyl)-1,4-benzoxazin-3-one Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)N3CCCCCC3)CC4=CN=CC=C4)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)N3CCCCCC3)CC4=CN=CC=C4)C

InChI

InChI=1S/C23H27N3O3/c1-23(2)22(28)26(16-17-8-7-11-24-15-17)19-14-18(9-10-20(19)29-23)21(27)25-12-5-3-4-6-13-25/h7-11,14-15H,3-6,12-13,16H2,1-2H3